SCHEMBL6529517

SCHEMBL6529517

CCON=C(CC)C(Cc1ccc(OCc2nc(-c3ccc(C)cc3)no2)cc1)C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.57
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
PSMB5 P28074 1/20 0.45
MAPT P10636 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 2/20 0.44
ADRB2 P07550 2/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MITF O75030 1/20 0.43
TP53 P04637 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6530453 0.92 FFAR1 (0.62) FFAR1RAB9ANPC1CASP3SENP8
SCHEMBL6528289 0.84 FFAR1 (0.63) FFAR1RAB9ANPC1CASP3SENP8
SCHEMBL6530450 0.83 PPARG (0.55) FFAR1RAB9ANPC1CASP3SENP8
SCHEMBL6527752 0.81 FFAR1 (0.54) FFAR1RAB9ANPC1CASP3SENP8
SCHEMBL6527924 0.78 FFAR1 (0.54) FFAR1RAB9ANPC1CASP3SENP8
SCHEMBL6528317 0.77 FFAR1 (0.57) FFAR1RAB9ANPC1CASP3SENP8
SCHEMBL6504738 0.75 FFAR1 (0.59) FFAR1RAB9ANPC1CASP3SENP8
SCHEMBL6529240 0.75 PPARG (0.60) FFAR1RAB9ANPC1CASP3SENP8
SCHEMBL6528955 0.75 FFAR1 (0.58) FFAR1RAB9ANPC1CASP3SENP8
SCHEMBL6531129 0.74 FFAR1 (0.57) FFAR1PPARGPPARAMAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed